trans-Sabinol

Formula: C₁₀H₁₆O
Molecular weight: 152.2334
IUPAC Standard InChI: InChI=1S/C10H16O/c1-6(2)10-4-8(10)7(3)9(11)5-10/h6,8-9,11H,3-5H2,1-2H3/t8-,9+,10+/m1/s1
IUPAC Standard InChIKey: MDFQXBNVOAKNAY-UTLUCORTSA-N
CAS Registry Number: 29606-76-6
Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript.
Stereoisomers:
- Bicyclo[3.1.0]hexan-3-ol, 4-methylene-1-(1-methylethyl)-, (1α,3α,5α)-
- Bicyclo[3.1.0]hexan-3-ol, 4-methylene-1-(1-methylethyl)-, [1S-(1α,3β,5α)]-
Other names: (E)-Sabinol
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Other data available:
- Gas Chromatography
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Normal alkane RI, non-polar column, temperature ramp

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	DB-5	RTX-1	RTX-1	DB-5	HP-5
Column length (m)	50.	60.	60.	30.	30.
Carrier gas	Nitrogen	Helium	Helium	Helium	He
Substrate
Column diameter (mm)	0.20	0.22	0.22	0.25	0.25
Phase thickness (μm)	0.32	0.25	0.25	0.25	0.25
T_start (C)	60.	60.	60.	60.	50.
T_end (C)	220.	230.	230.	300.	300.
Heat rate (K/min)	5.	2.	2.	3.	5.
Initial hold (min)	3.				5.
Final hold (min)		30.	30.		5.
I	1140.	1120.	1121.	1111.	1139.
Reference	Kazemi and Akhavani, 2009	Museli, Pau, et al., 2009	Museli, Pau, et al., 2009	Moreno, Lima, et al., 2007	Figuérédo, Cabassu, et al., 2006
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	NB-30	DB-5	DB-5	CP Sil 5 CB	HP-5MS
Column length (m)	30.	30.	30.	25.	30.
Carrier gas	He	Hydrogen	He		He
Substrate
Column diameter (mm)	0.2	0.25	0.25	0.25	0.25
Phase thickness (μm)	0.25	0.25	0.25	0.15	0.25
T_start (C)	50.	70.	60.	50.	60.
T_end (C)	250.	280.	220.	230.	275.
Heat rate (K/min)	2.	4.	4.	3.	4.
Initial hold (min)		4.	4.
Final hold (min)
I	1126.	1139.	1143.	1120.	1141.
Reference	Orav, Raal, et al., 2006	Pino, Marbot, et al., 2006	Morteza-Semnani and Saeedi, 2005	Ogunwande, Olawore, et al., 2005	Sajjadi and Ghannadi, 2005
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	DB-1	DB-1	HP-5MS	HP-5MS	CP Sil 5 CB
Column length (m)	50.	50.	30.	30.	25.
Carrier gas		He	He	He	He
Substrate
Column diameter (mm)	0.25	0.22	0.25	0.25	0.25
Phase thickness (μm)	0.25	0.25	0.25	0.25	0.25
T_start (C)	60.	70.	60.	60.	35.
T_end (C)	240.	220.	280.	280.	280.
Heat rate (K/min)	3.	4.	4.	3.	5.
Initial hold (min)					2.5
Final hold (min)
I	1105.	1130.	1139.	1136.	1108.
Reference	Velasco-Negueruela, Pérez-Alonso, et al., 2005	Palá-Paúl, García-Jiménez, et al., 2004	Sajjadi and Shahpiri, 2004	Couladis, Özcan, et al., 2003	Kanjilal, Kotoky, et al., 2003
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	DB-5	HP-5	DB-5	DB-5	DB-1
Column length (m)	30.	30.	30.	30.	50.
Carrier gas	H2	He	He	He	N2
Substrate
Column diameter (mm)	0.25	0.25	0.25	0.25	0.25
Phase thickness (μm)	0.25	0.25	0.25	0.25	0.25
T_start (C)	60.	60.	60.	60.	80.
T_end (C)	280.	280.	240.	240.	225.
Heat rate (K/min)	4.	3.	3.	3.	4.
Initial hold (min)	10.
Final hold (min)	40.
I	1140.	1127.	1142.	1140.	1121.
Reference	Pino, Marbot, et al., 2003	Pitarokili, Tzakou, et al., 2003	Flamini, Ertugrul, et al., 2002	Kobaisy, Tellez, et al., 2002	Palá-Paúl, Pérez-Alonso, et al., 2002
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	DB-1	HP-5	DB-5	DB-1	CP Sil 5 CB
Column length (m)	50.	30.	30.	60.	25.
Carrier gas	N2	N2	He	N2
Substrate
Column diameter (mm)	0.25	0.25	0.25	0.25	0.25
Phase thickness (μm)	0.25	0.25	0.25	0.25
T_start (C)	60.	60.	60.	75.	60.
T_end (C)	240.	220.	240.	220.	280.
Heat rate (K/min)	3.	5.	3.	4.	5.
Initial hold (min)		10.		1.
Final hold (min)				8.
I	1105.	1140.	1140.	1142.	1131.
Reference	Velasco-Negueruela, Pérez-Alonso, et al., 2002	Gallori, Flamini, et al., 2001	Tellez, Dayan, et al., 2000	Bailac, Dellacasa, et al., 1999	Kaul, Singh, et al., 1993
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

References

Go To: Top, Normal alkane RI, non-polar column, temperature ramp, Notes

Kazemi and Akhavani, 2009
Kazemi, M.; Akhavani, S., Constituents of Artemisia tournefortiana Rchb. essential oil from Iran, J. Appl. Chem. Res., 2009, 3, 10, 1-5. [all data]

Museli, Pau, et al., 2009
Museli, A.; Pau, M.; Desjobert, J.-M.; Foddai, M.; Usai, M.; Costa, J., Volatile constituents of Achllea ligustica All. by HS-SPME/GC/GC-MS. Comparison with essential oils obtained by hydrodistillation from Corsica and Sardinia, Chromatographia, 2009, 69, 5/6, 575-585, https://doi.org/10.1365/s10337-008-0939-1 . [all data]

Moreno, Lima, et al., 2007
Moreno, P.R.H.; Lima, M.E.L.; Sobral, M.; Young, M.C.M.; Cordeiro, I.; Apel, M.A.A.; Limberger, R.P.; Henriques, A.T., Essential oil composition of fruit colour varieties of Eugenia brasiliensis Lam., Sci. Agr.; (Piracicaba Praz.), 2007, 64, 4, 428-432. [all data]

Figuérédo, Cabassu, et al., 2006
Figuérédo, G.; Cabassu, P.; Chalchat, J.-C.; Pasquier, B., Studies of Mediterranean oregano populations. VIII. Chemical composition of essential oils of oreganos of various origins, Flavour Fragr. J., 2006, 21, 1, 134-139, https://doi.org/10.1002/ffj.1543 . [all data]

Orav, Raal, et al., 2006
Orav, A.; Raal, A.; Arak, E.; Müürisepp, M.; Kailas, T., Composition of the essential oil of Artemisia absinthium L. of different geographical origin, Proc. Est. Acad. Sci. Chem., 2006, 55, 3, 155-165. [all data]

Pino, Marbot, et al., 2006
Pino, J.A.; Marbot, R.; Payo, A.; Chao, D.; Herrera, P., Aromatic Plants from Western Cuba VII. Composition of the Leaf Oil of Psidium wrightii KRug et Urb., Lantana involucrata L., Cinnamonum montanum (Sw.) Berchtold et J. Persl. and Caesalpinia violacea (Mill.) Standley, J. Essent. Oil. Res., 2006, 18, 2, 170-174, https://doi.org/10.1080/10412905.2006.9699058 . [all data]

Morteza-Semnani and Saeedi, 2005
Morteza-Semnani, K.; Saeedi, M., The essential oil composition of Phlomis bruguieri Desf. from Iran, Flavour Fragr. J., 2005, 20, 3, 344-346, https://doi.org/10.1002/ffj.1459 . [all data]

Ogunwande, Olawore, et al., 2005
Ogunwande, I.A.; Olawore, N.O.; Adeleke, K.A.; Ekundayo, O., Volatile constituents from the leaves of Eucalyptus cloeziana F. Muell and E. propinqua Deane Maiden from Nigeria, Flavour Fragr. J., 2005, 20, 6, 637-639, https://doi.org/10.1002/ffj.1516 . [all data]

Sajjadi and Ghannadi, 2005
Sajjadi, S.-E.; Ghannadi, A., Essential oil of the Persian sage, Salvia rhytidea Benth., Acta Pharm. Sin., 2005, 55, 321-326. [all data]

Velasco-Negueruela, Pérez-Alonso, et al., 2005
Velasco-Negueruela, A.; Pérez-Alonso, M.J.; Palá-Paúl, J.; Iñigo, A.; López, G., The volatile oil composition of the berries of Juniperus macrocarpa Sibth. and Sm., gathered in Spain, J. Essent. Oil Res., 2005, 17, 1, 61-63, https://doi.org/10.1080/10412905.2005.9698831 . [all data]

Palá-Paúl, García-Jiménez, et al., 2004
Palá-Paúl, J.; García-Jiménez, R.; Pérez-Alonso, M.J.; Velasco-Negueruela, A.; Sanz, J., Essential oil composition of the leaves and stems of Meum athamanticum Jacq., from Spain, J. Chromatogr. A, 2004, 1036, 2, 245-247, https://doi.org/10.1016/j.chroma.2004.02.064 . [all data]

Sajjadi and Shahpiri, 2004
Sajjadi, S.E.; Shahpiri, Z., Chemical composition of the essential oil of Salvia limbata C.A.Mey, DARU, 2004, 12, 3, 94-97. [all data]

Couladis, Özcan, et al., 2003
Couladis, M.; Özcan, M.; Tzakou, O.; Akgül, A., Comparative essential oil composition of various parts of the turpentine tree (Pistacia terebinthus L) growing wild in Turkey, J. Sci. Food Agric., 2003, 83, 2, 136-138, https://doi.org/10.1002/jsfa.1295 . [all data]

Kanjilal, Kotoky, et al., 2003
Kanjilal, P.B.; Kotoky, R.; Singh, R.S., Chemical composition of the leaf oil of Altingia excelsa Nornha, Flavour Fragr. J., 2003, 18, 5, 449-450, https://doi.org/10.1002/ffj.1250 . [all data]

Pino, Marbot, et al., 2003
Pino, J.A.; Marbot, R.; Fuentes, V., Characterization of volatiles in Bullock's heart (Annona reticulata L.) fruit cultivars from Cuba, J. Agric. Food Chem., 2003, 51, 13, 3836-3839, https://doi.org/10.1021/jf020733y . [all data]

Pitarokili, Tzakou, et al., 2003
Pitarokili, D.; Tzakou, O.; Loukis, A.; Harvala, C., Volatile metabolites from Salvia fruticosa as antifungal agents in soilborne pathogens, J. Agric. Food Chem., 2003, 51, 11, 3294-3301, https://doi.org/10.1021/jf0211534 . [all data]

Flamini, Ertugrul, et al., 2002
Flamini, G.; Ertugrul, K.; Cioni, P.L.; Morelli, I.; Dural, H.; Bagci, Y., Volatile constituents of two endemic Centaurea species from Turkey: C. pseudoscabiosa subsp. pseudoscabiosa and C. hadimensis, Biochem. Syst. Ecol., 2002, 30, 10, 953-959, https://doi.org/10.1016/S0305-1978(02)00043-1 . [all data]

Kobaisy, Tellez, et al., 2002
Kobaisy, M.; Tellez, M.R.; Dayan, F.E.; Duke, S.O., Phytotoxicity and volatile constituents from leaves of Callicarpa japonica Thunb., Phytochemistry, 2002, 61, 1, 37-40, https://doi.org/10.1016/S0031-9422(02)00207-8 . [all data]

Palá-Paúl, Pérez-Alonso, et al., 2002
Palá-Paúl, J.; Pérez-Alonso, M.J.; Velasco-Negueruela, A.; Sanz, J., Analysis by gas chromatography-mass spectrometry of the volatile components of Ageratina adenophora Spreng., growing in the Canary Islands, J. Chromatogr. A, 2002, 947, 2, 327-331, https://doi.org/10.1016/S0021-9673(02)00016-X . [all data]

Velasco-Negueruela, Pérez-Alonso, et al., 2002
Velasco-Negueruela, A.; Pérez-Alonso, M.J.; Palá-Paúl, J.; Íñigo, A.; López, G., Leaf essential oils analysis of Juniperus navicularis Gandoger, Botanica Complutensis, 2002, 26, 85-91. [all data]

Gallori, Flamini, et al., 2001
Gallori, S.; Flamini, G.; Bilia, A.R.; Morelli, I.; Landini, A.; Vincieri, F.F., Chemical composition of some traditional herbal drug preparations: essential oil and aromatic water of costmary (Balsamita suaveolens Pers.), J. Agric. Food Chem., 2001, 49, 12, 5907-5910, https://doi.org/10.1021/jf0107656 . [all data]

Tellez, Dayan, et al., 2000
Tellez, M.R.; Dayan, F.E.; Schrader, K.K.; Wedge, D.E.; Duke, S.O., Composition and some biological activities of the essential oils of Callicarpa Americana (L.), J. Agric. Food Chem., 2000, 48, 7, 3008-3012, https://doi.org/10.1021/jf991026g . [all data]

Bailac, Dellacasa, et al., 1999
Bailac, P.N.; Dellacasa, A.D.; Duschatzky, C.B.; Firpo, N.; Ponzi, M.I., Composicion del aceite esencial y actividad antimicrobiana de Aloysia gratissima de San Luis - Argentina, An. Asoc. Quim. Argent., 1999, 87, 3/4, 149-153. [all data]

Kaul, Singh, et al., 1993
Kaul, V.K.; Singh, B.; Sood, R.P., Volatile Constituents of the Essential Oil of Tanacetum longifolium Wall., J. Essent. Oil Res., 1993, 5, 6, 597-601, https://doi.org/10.1080/10412905.1993.9698290 . [all data]

Notes

Go To: Top, Normal alkane RI, non-polar column, temperature ramp, References

Symbols used in this document:

T_end Final temperature

T_start Initial temperature
Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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